N2,N6-bis[[3-(dodecylcarbamoyl)-5-(pyren-4-ylmethylcarbamoyl)phenyl]methyl]pyridine-2,6-dicarboxamide

Systemtic Name: N2,N6-bis[[3-(dodecylcarbamoyl)-5-(pyren-4-ylmethylcarbamoyl)phenyl]methyl]pyridine-2,6-dicarboxamide Openeye Name: N2,N6-bis[[3-(dodecylcarbamoyl)-5-(pyren-4-ylmethylcarbamoyl)phenyl]methyl]pyridine-2,6-dicarboxamide CAS Name: N2,N6-bis[[3-[(dodecylamino)-oxomethyl]-5-[oxo-(4-pyrenylmethylamino)methyl]phenyl]methyl]pyridine-2,6-dicarboxamide IUPAC Name: 2-N,6-N-bis[[3-(dodecylcarbamoyl)-5-(pyren-4-ylmethylcarbamoyl)phenyl]methyl]pyridine-2,6-dicarboxamide Traditional Name: N,N'-bis[3-(laurylcarbamoyl)-5-(pyren-4-ylmethylcarbamoyl)benzyl]dipicolinamide Formula: C83H91N7O6 MolecularWeight: 1282.65394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC3=CC=CC4=C3C5=C(C=CC=C25)C=C4)CNC(=O)C6=NC(=CC=C6)C(=O)NCC7=CC(=CC(=C7)C(=O)NCCCCCCCCCCCC)C(=O)NCC8=CC9=CC=CC1=C9C2=C(C=CC=C82)C=C1

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC3=CC=CC4=C3C5=C(C=CC=C25)C=C4)CNC(=O)C6=NC(=CC=C6)C(=O)NCC7=CC(=CC(=C7)C(=O)NCCCCCCCCCCCC)C(=O)NCC8=CC9=CC=CC1=C9C2=C(C=CC=C82)C=C1

InChI

InChI=1S/C83H91N7O6/c1-3-5-7-9-11-13-15-17-19-21-42-84-78(91)64-44-56(46-66(50-64)80(93)88-54-68-48-62-32-23-28-58-38-40-60-30-25-34-70(68)76(60)74(58)62)52-86-82(95)72-36-27-37-73(90-72)83(96)87-53-57-45-65(79(92)85-43-22-20-18-16-14-12-10-8-6-4-2)51-67(47-57)81(94)89-55-69-49-63-33-24-29-59-39-41-61-31-26-35-71(69)77(61)75(59)63/h23-41,44-51H,3-22,42-43,52-55H2,1-2H3,(H,84,91)(H,85,92)(H,86,95)(H,87,96)(H,88,93)(H,89,94)